(R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol

C21H24N2O4 — CID 2445691

IUPAC(R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESCCOc1cc([C@@H](O)c2nnc(-c3ccccc3)o2)ccc1OCC(C)C
InChIInChI=1S/C21H24N2O4/c1-4-25-18-12-16(10-11-17(18)26-13-14(2)3)19(24)21-23-22-20(27-21)15-8-6-5-7-9-15/h5-12,14,19,24H,4,13H2,1-3H3/t19-/m1/s1
InChIKeyVVTPFFISODTTIQ-LJQANCHMSA-N
MW368.43 g/mol
LogP4.25
Rot. Bonds8

About (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol

(R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (PubChem CID 2445691) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
PubChem CID2445691
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESCCOc1cc([C@@H](O)c2nnc(-c3ccccc3)o2)ccc1OCC(C)C
InChIInChI=1S/C21H24N2O4/c1-4-25-18-12-16(10-11-17(18)26-13-14(2)3)19(24)21-23-22-20(27-21)15-8-6-5-7-9-15/h5-12,14,19,24H,4,13H2,1-3H3/t19-/m1/s1
InChIKeyVVTPFFISODTTIQ-LJQANCHMSA-N
XLogP4.25
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol with MolForge

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Related Compounds

(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 2123355
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7630583
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
CID 28718254
1-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-ol
CID 83952575
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7630797
(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
CID 101417641
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7628188
2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522274
2,5-diethoxy-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 46339183
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975

Frequently Asked Questions

What is the IUPAC name of (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The IUPAC name of (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (CID 2445691) is (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.
What is the SMILES notation for (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The canonical SMILES for (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is CCOc1cc([C@@H](O)c2nnc(-c3ccccc3)o2)ccc1OCC(C)C.
What is the InChIKey of (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The InChIKey is VVTPFFISODTTIQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-25-18-12-16(10-11-17(18)26-13-14(2)3)19(24)21-23-22-20(27-21)15-8-6-5-7-9-15/h5-12,14,19,24H,4,13H2,1-3H3/t19-/m1/s1.
What are the key properties of (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
(R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol has a molecular weight of 368.43 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is sourced from PubChem (CID 2445691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).